Vitas-M small molecule compound
[6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521704
SMILES COc1c(OC)cc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)c1ccccc1)cccc2)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H21BrN4O4S MW 565.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4O4S/c1-33-20-14-16(27)13-18(22(20)34-2)25-31(24(32)15-9-5-4-6-10-15)19-12-8-7-11-17(19)21-23(35-25)28-26(36-3)30-29-21/h4-14,25H,1-3H3InChIKey
BOSDYAPJCZTYOW-UHFFFAOYSA-NSynonyms
(6(5bromo23dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(5bromo23dimethoxyphenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)phenylmethanone
7BENZOYL6(5BROMO23DIMETHOXYPHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
COC1=C(C(=CC(=C1)Br)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C5=CC=CC=C5)OC
InChI=1SC26H21BrN4O4Sc133201416(27)1318(22(20)342)2531(24(32)1595461015)1912871117(19)2123(3525)2826(363)302921h41425H13H3
MFCD03080554
ZINC000001007388
ZINC000001007389
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